CID 82074

2-azidobiphenyl

Structural Information

Molecular Formula

C₁₂H₉N₃

SMILES

C1=CC=C(C=C1)C2=CC=CC=C2N=[N+]=[N-]

InChI

InChI=1S/C12H9N3/c13-15-14-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H

InChIKey

OUMDYYHOXIUBIO-UHFFFAOYSA-N

Compound name

1-azido-2-phenylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 31
Patents: 195.07965 Da
Monoisotopic Mass: 4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	196.08693	139.0
[M+Na]+	218.06887	145.8
[M-H]-	194.07237	148.4
[M+NH4]+	213.11347	158.1
[M+K]+	234.04281	138.2
[M+H-H2O]+	178.07691	135.5
[M+HCOO]-	240.07785	170.8
[M+CH3COO]-	254.09350	187.5
[M+Na-2H]-	216.05432	150.9
[M]+	195.07910	136.0
[M]-	195.08020	136.0

Literature stripe

literature stripe

Patent stripe

patents stripe